(3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H23F3N2O2 — CID 81129563

IUPAC(3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C13H23F3N2O2/c1-2-20-8-4-7-18(10-13(14,15)16)12(19)11-5-3-6-17-9-11/h11,17H,2-10H2,1H3/t11-/m1/s1
InChIKeyOUJXKXXWALMHJZ-LLVKDONJSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds7

About (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 81129563) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID81129563
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C13H23F3N2O2/c1-2-20-8-4-7-18(10-13(14,15)16)12(19)11-5-3-6-17-9-11/h11,17H,2-10H2,1H3/t11-/m1/s1
InChIKeyOUJXKXXWALMHJZ-LLVKDONJSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 81129563) is (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is OUJXKXXWALMHJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-20-8-4-7-18(10-13(14,15)16)12(19)11-5-3-6-17-9-11/h11,17H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).